[gmx-users] Is there a way to add protons to all the residues in a pdb file that was run with the protons missing?
aroberts99163 at yahoo.com
Tue Dec 9 19:05:12 CET 2008
This is probably an obvious question. I did a simulation with an
ff53a6 force field, which lacks protons on aliphatic side chains. I
have pdb coordinates for each time. Is there a way to add protons to
the aliphatic side chains. Your input is appreciated.
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